ChemSpider 2D Image | 3-(2-Methyl-2-propanyl)-5,6,8-trinitronaphtho[1,8-cd][1,2]dithiole | C14H11N3O6S2

3-(2-Methyl-2-propanyl)-5,6,8-trinitronaphtho[1,8-cd][1,2]dithiole

  • Molecular FormulaC14H11N3O6S2
  • Average mass381.384 Da
  • Monoisotopic mass381.008911 Da
  • ChemSpider ID21117921

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-(2-Methyl-2-propanyl)-5,6,8-trinitronaphtho[1,8-cd][1,2]dithiol [German] [ACD/IUPAC Name]
3-(2-Methyl-2-propanyl)-5,6,8-trinitronaphtho[1,8-cd][1,2]dithiole [ACD/IUPAC Name]
3-(2-Méthyl-2-propanyl)-5,6,8-trinitronaphto[1,8-cd][1,2]dithiole [French] [ACD/IUPAC Name]
Naphtho[1,8-cd]-1,2-dithiole, 3-(1,1-dimethylethyl)-5,6,8-trinitro- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 514.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 75.7±3.0 kJ/mol
Flash Point: 265.1±30.1 °C
Index of Refraction: 1.756
Molar Refractivity: 96.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 4.37
ACD/BCF (pH 5.5): 1237.42
ACD/KOC (pH 5.5): 5691.46
ACD/LogD (pH 7.4): 4.37
ACD/BCF (pH 7.4): 1237.42
ACD/KOC (pH 7.4): 5691.46
Polar Surface Area: 188 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 78.5±3.0 dyne/cm
Molar Volume: 236.1±3.0 cm3

Click to predict properties on the Chemicalize site


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